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685106-96-1 | 1,3-dimethyl-5-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
CAS No: 685106-96-1 Catalog No: AG00IQAV MDL No:MFCD03617367
Product Description
Catalog Number:
AG00IQAV
Chemical Name:
1,3-dimethyl-5-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
CAS Number:
685106-96-1
Molecular Formula:
C14H12N4O3S
Molecular Weight:
316.3351
MDL Number:
MFCD03617367
IUPAC Name:
1,3-dimethyl-5-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C14H12N4O3S/c1-16-11(19)10(12(20)17(2)14(16)21)8-9-4-3-6-18(9)13-15-5-7-22-13/h3-8H,1-2H3
InChI Key:
PXWZJODHUZHYQC-UHFFFAOYSA-N
SMILES:
O=C1N(C)C(=O)C(=Cc2cccn2c2nccs2)C(=O)N1C
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.063g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.335g/mol
Monoisotopic Mass:
316.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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